2-[(5-chloranyl-1,3-benzoxazol-2-yl)sulfanyl]-N-[4-(4-prop-2-ynylpiperazin-1-yl)phenyl]ethanamide

Systemtic Name: 2-[(5-chloranyl-1,3-benzoxazol-2-yl)sulfanyl]-N-[4-(4-prop-2-ynylpiperazin-1-yl)phenyl]ethanamide Openeye Name: 2-[(5-chloro-1,3-benzoxazol-2-yl)sulfanyl]-N-[4-(4-prop-2-ynylpiperazin-1-yl)phenyl]acetamide CAS Name: 2-[(5-chloro-1,3-benzoxazol-2-yl)thio]-N-[4-(4-prop-2-ynyl-1-piperazinyl)phenyl]acetamide IUPAC Name: 2-[(5-chloro-1,3-benzoxazol-2-yl)sulfanyl]-N-[4-(4-prop-2-ynylpiperazin-1-yl)phenyl]acetamide Traditional Name: 2-[(5-chloro-1,3-benzoxazol-2-yl)thio]-N-[4-(4-propargylpiperazino)phenyl]acetamide Formula: C22H21ClN4O2S MolecularWeight: 440.94574

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Descriptors Computed from Structure

Canonical SMILES:

C#CCN1CCN(CC1)C2=CC=C(C=C2)NC(=O)CSC3=NC4=C(O3)C=CC(=C4)Cl

Isomeric SMILES

C#CCN1CCN(CC1)C2=CC=C(C=C2)NC(=O)CSC3=NC4=C(O3)C=CC(=C4)Cl

InChI

InChI=1S/C22H21ClN4O2S/c1-2-9-26-10-12-27(13-11-26)18-6-4-17(5-7-18)24-21(28)15-30-22-25-19-14-16(23)3-8-20(19)29-22/h1,3-8,14H,9-13,15H2,(H,24,28)